2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzothiazine-6-carbonyl]amino]ethyl-diethyl-ammonium Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H31N3O2S/c1-5-26(6-2)12-11-25-24(29)19-9-10-22-21(14-19)27(23(28)16-30-22)15-20-13-17(3)7-8-18(20)4/h7-10,13-14H,5-6,11-12,15-16H2,1-4H3,(H,25,29)/p+1